Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL499832 | 0.84 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL3111086 | 0.84 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL1857990 | 0.73 | KMT2A (0.39) | ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL14001836 | 0.69 | GABRR1 (0.33) | LMNA | |
| SCHEMBL5510794 | 0.66 | SHBG (0.42) | ALDH1A1LMNASMN1; SMN2EPHX1L3MBTL1 | |
| SCHEMBL19385536 | 0.66 | NPY5R (0.38) | ALDH1A1CYP2D6 | |
| SCHEMBL3601888 | 0.66 | NPY5R (0.38) | ALDH1A1CYP2D6 | |
| SCHEMBL1861021 | 0.66 | CYP2D6 (0.37) | ALDH1A1SMN1; SMN2EPHX1CYP2D6 | |
| SCHEMBL22341299 | 0.65 | L3MBTL1 (0.38) | ALDH1A1KDM4EEPHX1L3MBTL1 | |
| SCHEMBL19385602 | 0.64 | NPY5R (0.36) | ALDH1A1CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | DNPEP, PEPD, ACE | ALDH1A1 587/4885TP53 1848/4885KDM4E 3345/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.